============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 14 1.000 85.044 -15.867 92.124 -99.200 -91.000 HIS 25 0.900 89.592 -11.553 106.743 -99.200 -91.000 PHE 27 1.000 88.258 -8.506 104.413 -99.200 -91.000 PHE 28 1.000 80.300 -12.405 102.731 -99.200 -91.000 TYR 38 0.840 73.587 -7.764 107.851 -99.200 -91.000 TYR 42 0.840 73.341 -18.669 110.623 -99.200 -91.000 PHE 44 1.000 82.495 -17.820 103.332 -99.200 -91.000 TYR 56 0.840 84.424 -4.876 108.256 -99.200 -91.000 PHE 61 1.000 86.847 -3.518 102.522 -99.200 -91.000 HIS 80 0.900 69.316 -3.134 90.498 -99.200 -91.000 PHE 93 1.000 91.122 0.309 101.113 -99.200 -91.000 PHE 105 1.000 69.094 -5.260 85.835 -99.200 -91.000 TYR 117 0.840 87.586 -13.209 88.169 -99.200 -91.000 TYR 121 0.840 71.499 -8.192 90.863 -99.200 -91.000 TRP 123 1.040 65.539 -5.494 90.016 -99.200 -91.000 TRP6 123 1.020 64.339 -3.991 88.687 -99.200 -91.000 TYR 134 0.840 68.513 -11.883 99.549 -99.200 -91.000 TYR 138 0.840 72.632 -18.225 100.266 -99.200 -91.000 PHE 142 1.000 75.592 -22.385 100.285 -99.200 -91.000 PHE 154 1.000 78.061 -25.377 93.488 -99.200 -91.000 TYR 168 0.840 61.694 -16.479 96.365 -99.200 -91.000 PHE 182 1.000 52.751 -4.320 107.315 -99.200 -91.000 HIS 186 0.900 51.168 -2.504 110.795 -99.200 -91.000 TYR 193 0.840 60.818 -0.318 117.734 -99.200 -91.000 TYR 200 0.840 69.823 -7.670 112.517 -99.200 -91.000 TYR 204 0.840 70.649 -2.834 108.347 -99.200 -91.000 TYR 206 0.840 59.295 -4.627 105.543 -99.200 -91.000 TRP 214 1.040 60.141 9.701 103.254 -99.200 -91.000 TRP6 214 1.020 59.000 11.564 102.347 -99.200 -91.000 HIS 216 0.900 60.431 8.276 112.755 -99.200 -91.000 HIS 218 0.900 66.615 -0.288 116.924 -99.200 -91.000 HIS 221 0.900 70.494 -11.084 117.430 -99.200 -91.000 TYR 225 0.840 61.907 -8.169 122.240 -99.200 -91.000 PHE 226 1.000 63.319 -11.979 125.269 -99.200 -91.000 HIS 227 0.900 69.939 -10.066 127.607 -99.200 -91.000 PHE 230 1.000 62.965 -7.340 128.107 -99.200 -91.000 PHE 239 1.000 58.731 -4.732 118.595 -99.200 -91.000 PHE 258 1.000 58.432 -9.653 126.977 -99.200 -91.000 TYR 262 0.840 54.371 -8.971 129.481 -99.200 -91.000 TYR 274 0.840 56.304 -18.418 104.288 -99.200 -91.000 PHE 276 1.000 61.573 -23.081 103.269 -99.200 -91.000 TYR 286 0.840 73.368 -22.648 105.685 -99.200 -91.000 TYR 299 0.840 53.195 -9.163 104.969 -99.200 -91.000 HIS 309 0.900 56.168 7.491 100.804 -99.200 -91.000 HIS 313 0.900 58.048 11.065 97.173 -99.200 -91.000 TYR 316 0.840 66.167 14.523 102.506 -99.200 -91.000 TRP 317 1.040 68.582 7.612 92.937 -99.200 -91.000 TRP6 317 1.020 66.729 6.297 93.582 -99.200 -91.000 TYR 321 0.840 72.949 11.596 98.801 -99.200 -91.000